SCHEMBL8554205

SCHEMBL8554205

Clc1ccc(OCc2nc3c(CCCC4CCCNC4)c(Cl)c(Cl)cc3[nH]2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.39
ACP1 P24666 3/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8554085 0.90 NPY1R (0.49) NPY1RACP1NPC1RAB9A
SCHEMBL8551439 0.85 NPY1R (0.42) NPY1RACP1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL8552498 0.83 NPY1R (0.44) NPY1R
SCHEMBL8554219 0.79 NPY1R (0.51) NPY1RNPC1RAB9A
SCHEMBL8550720 0.79 NPY1R (0.53) NPY1R
SCHEMBL8553094 0.78 NPY1R (0.50) NPY1RACP1
Trifluoroacetic Acid SCHEMBL8554222 0.77 GNRHR (0.39)
SCHEMBL8555992 0.75 NPY1R (0.51) NPY1R
SCHEMBL8553133 0.75 NPY1R (0.42) NPY1RACP1
SCHEMBL8553363 0.73 NPY1R (0.48) NPY1RACP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed